SCHEMBL3670120

SCHEMBL3670120

CC(N)(N)c1ccc2ccccc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.50
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 3/20 0.41
HPGD P15428 4/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
NCEH1 Q6PIU2 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3214266 0.78 CYP2A6 (0.47) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL3670404 0.77 POLB (0.47) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL3668886 0.77 HSD17B10 (0.42) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL9435264 0.76 CYP2A6 (0.54) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL3681420 0.75 ALDH1A1 (0.44) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL3670117 0.73 CYP2A6 (0.50) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL9138639 0.71 HSD17B10 (0.42) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL2873052 0.69 TSHR (0.56) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL29663873 0.69 CYP2A6 (0.60) CYP2A6HSD17B10ALDH1A1TSHRTDP1
SCHEMBL1755226 0.69 CYP2A6 (0.60) CYP2A6HSD17B10ALDH1A1TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed